Aragonite
Ye Y, Smyth J R, Boni P
American Mineralogist 97 (2012) 707-712
Crystal structure and thermal expansion of aragonite-group carbonates
by single-crystal X-ray diffraction
Note: T = 300 K
Locality: natural, unknown locality
_database_code_amcsd 0018860
4.9596 7.9644 5.7416 90 90 90 Pmcn
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca     .25 .41498 .75936 .997 .0121  .0131  .0110  .0122      0      0 .00020
Sr     .25 .41498 .75936 .003 .0121  .0131  .0110  .0122      0      0 .00020
C      .25  .7622 -.0851      .0121  .0152  .0154  .0058      0      0  .0007
O1     .25 .92200 -.0956      .0170  .0211  .0128  .0172      0      0 -.0005
O2   .4737 .68067 -.0872      .0159  .0135  .0179  .0162  .0026  .0003  .0013